1-benzyl-2,3-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]indole-5-carboxamide

C24H26N4O — CID 29096679

IUPAC1-benzyl-2,3-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]indole-5-carboxamide
SMILESCc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N[C@H](C)Cn3cccn3)cc12
InChIInChI=1S/C24H26N4O/c1-17(15-27-13-7-12-25-27)26-24(29)21-10-11-23-22(14-21)18(2)19(3)28(23)16-20-8-5-4-6-9-20/h4-14,17H,15-16H2,1-3H3,(H,26,29)/t17-/m1/s1
InChIKeyPNLYQTHEANRGOF-QGZVFWFLSA-N
MW386.50 g/mol
LogP4.32
Rot. Bonds6

About 1-benzyl-2,3-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]indole-5-carboxamide

1-benzyl-2,3-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]indole-5-carboxamide (PubChem CID 29096679) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-benzyl-2,3-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]indole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-2,3-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]indole-5-carboxamide
PubChem CID29096679
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name1-benzyl-2,3-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]indole-5-carboxamide
SMILESCc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N[C@H](C)Cn3cccn3)cc12
InChIInChI=1S/C24H26N4O/c1-17(15-27-13-7-12-25-27)26-24(29)21-10-11-23-22(14-21)18(2)19(3)28(23)16-20-8-5-4-6-9-20/h4-14,17H,15-16H2,1-3H3,(H,26,29)/t17-/m1/s1
InChIKeyPNLYQTHEANRGOF-QGZVFWFLSA-N
XLogP4.32
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide
CID 20940145
1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide
CID 20940085
N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
1-benzyl-2,3-dimethyl-N-(3-methylbutyl)indole-5-carboxamide
CID 20940136
2-[4-[[2,3-dimethyl-5-(4-phenylbutan-2-ylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
CID 71074997
1-benzyl-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dimethylindole-5-carboxamide
CID 19283645
2,3-dimethyl-N-[(1S)-1-naphthalen-1-ylethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 71099280
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373
N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 71099300
1-benzyl-2,3-dimethyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]indole-5-carboxamide
CID 19286379
N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 71099318
N-[(1R)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 71099343

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,3-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]indole-5-carboxamide?
The IUPAC name of 1-benzyl-2,3-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]indole-5-carboxamide (CID 29096679) is 1-benzyl-2,3-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]indole-5-carboxamide.
What is the SMILES notation for 1-benzyl-2,3-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]indole-5-carboxamide?
The canonical SMILES for 1-benzyl-2,3-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]indole-5-carboxamide is Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N[C@H](C)Cn3cccn3)cc12.
What is the InChIKey of 1-benzyl-2,3-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]indole-5-carboxamide?
The InChIKey is PNLYQTHEANRGOF-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17(15-27-13-7-12-25-27)26-24(29)21-10-11-23-22(14-21)18(2)19(3)28(23)16-20-8-5-4-6-9-20/h4-14,17H,15-16H2,1-3H3,(H,26,29)/t17-/m1/s1.
What are the key properties of 1-benzyl-2,3-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]indole-5-carboxamide?
1-benzyl-2,3-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]indole-5-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,3-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]indole-5-carboxamide is sourced from PubChem (CID 29096679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).